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electronic-structure / SIRIUS

Domain specific library for electronic structure calculations
BSD 3-Clause "New" or "Revised" License
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fix hubbard for collinear case #881

Closed simonpintarelli closed 1 year ago

simonpintarelli commented 1 year ago

Seems to work. I get consistent results when running num_mag_dim=1 for nlcg now.

simonpintarelli commented 1 year ago

duplicate of https://github.com/electronic-structure/SIRIUS/pull/880